octahydro-1H-indene

• ChemBase ID: 110323
• Molecular Formular: C9H16
• Molecular Mass: 124.22334
• Monoisotopic Mass: 124.12520051
• SMILES: C1CCC2CCCC2C1
• Canonical SMILES: C1CCC2C(C1)CCC2
• InChI: InChI=1S/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2
• InChIKey: BNRNAKTVFSZAFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydro-1H-indene
• IUPAC Traditional name: hydrindane
• Synonyms: cis-trans-HEXAHYDROINDANE

Database IDs

• CAS Number: 496-10-6
• PubChem SID: 162095862
• PubChem CID: 10325

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.222293
• LogD (pH = 7.4): 3.222293
• Log P: 3.222293
• Molar Refractivity: 39.502 cm^3
• Polarizability: 15.879366 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05214543

MP Biomedicals Rare Chemical collection